Molecule

ID:23469

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O₃
Molecular Mass
334.79736
Exact Mass
334.10842016
Charge
0
InChI
InChI=1S/C17H19ClN2O3/c1-2-22-8-9-23-14-5-3-4-12(10-14)17(21)20-13-6-7-15(18)16(19)11-13/h3-7,10-11H,2,8-9,19H2,1H3,(H,20,21)
InChIKey
RVOQADJAACMPHN-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1cc(OCCOCC)ccc1
Calculated Properties
JChem
Acid pKa
12.384923
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9921412
LogD (pH = 7.4)
2.9924028
Log P
2.9924104
Molar Refractivity
93.352
Polarizability
34.691803
Polar Surface Area
73.58
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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